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PUBCHEM-ZINC06379819

 MMsINC code: MMs03693167
Type: Neutral
Formula: C11H22NO+
SMILES:   O=[C+]CC(N(CC)CC)CCCC
InChI:   InChI=1/C11H22NO/c1-4-7-8-11(9-10-13)12(5-2)6-3/h11H,4-9H2,1-3H3/q+1/t11-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.0609 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.303 g/mol  logS: -1.98996  SlogP: 2.3868  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.322691  Sterimol/B1: 3.52587  Sterimol/B2: 4.25714  Sterimol/B3: 4.3436
  Sterimol/B4: 5.05662  Sterimol/L: 12.1899 
 
 Surface and Volume Properties
  Accessible surface: 422.99  Positive charged surface: 307.897  Negative charged surface: 115.093  Volume: 216.25
  Hydrophobic surface: 298.462  Hydrophilic surface: 124.528
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 1
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03693168
PUBCHEM-ZINC06379819